| CAS Number | 42331-15-7 |
| Catalog Number | AG00CMXF(AGN-PC-0WG3F7) |
| Chemical Name | Delta-Aminobenzenebutanol |
| IUPAC Name | 4-amino-4-phenylbutan-1-ol |
| InChI | InChI=1S/C10H15NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2 |
| InChI Key | AGOPKBQSZNSGSA-UHFFFAOYSA-N |
| MDL Number | MFCD09035649 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | OCCCC(c1ccccc1)N |
| Synonyms | 4-amino-4-phenylbutan-1-ol,
42331-15-7,
delta-aminobenzenebutanol,
SCHEMBL5681232,
AGOPKBQSZNSGSA-UHFFFAOYSA-N,
AKOS004122841,
AKOS017504313,
MCULE-7976235281,
NE14079,
CS-13369,
CS-0028348,
EN300-83828,
Z1696844446,
|A-Aminobenzenebutanol,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number